4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C19H22N4O4 — CID 32882238

About 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 32882238) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
• PubChem CID: 32882238
• Molecular Formula: C19H22N4O4
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.16
• IUPAC Name: 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
• SMILES: Cn1c(NCCOc2cccc3c2OC(C)(C)C3)c(C#N)c(=O)n(C)c1=O
• InChI: InChI=1S/C19H22N4O4/c1-19(2)10-12-6-5-7-14(15(12)27-19)26-9-8-21-16-13(11-20)17(24)23(4)18(25)22(16)3/h5-7,21H,8-10H2,1-4H3
• InChIKey: NPCYDWFNWJABPQ-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 98.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?

The IUPAC name of 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 32882238) is 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

What is the SMILES notation for 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?

The canonical SMILES for 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(NCCOc2cccc3c2OC(C)(C)C3)c(C#N)c(=O)n(C)c1=O.

What is the InChIKey of 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?

The InChIKey is NPCYDWFNWJABPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-19(2)10-12-6-5-7-14(15(12)27-19)26-9-8-21-16-13(11-20)17(24)23(4)18(25)22(16)3/h5-7,21H,8-10H2,1-4H3.

What are the key properties of 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?

4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 32882238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).